1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine

C13H25NO — CID 141152653

IUPAC1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine
SMILESCC=C(C)CCONCC1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12(2)9-10-15-14-11-13-7-5-4-6-8-13/h3,13-14H,4-11H2,1-2H3
InChIKeyIKRWSXCFNZXBFZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.44
Rot. Bonds6

About 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine

1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine (PubChem CID 141152653) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine
PubChem CID141152653
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine
SMILESCC=C(C)CCONCC1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12(2)9-10-15-14-11-13-7-5-4-6-8-13/h3,13-14H,4-11H2,1-2H3
InChIKeyIKRWSXCFNZXBFZ-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine?
The IUPAC name of 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine (CID 141152653) is 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine is CC=C(C)CCONCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine?
The InChIKey is IKRWSXCFNZXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12(2)9-10-15-14-11-13-7-5-4-6-8-13/h3,13-14H,4-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine?
1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine has a molecular weight of 211.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-methylpent-3-enoxy)methanamine is sourced from PubChem (CID 141152653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).